3033-1811 Screening compound: ethyl 2-[4-({[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]imino}methyl)-2-methoxyphenoxy]acetate

3033-1811 Screening compound: ethyl 2-[4-({[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]imino}methyl)-2-methoxyphenoxy]acetate
3033-1811 Screening compound: ethyl 2-[4-({[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]imino}methyl)-2-methoxyphenoxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-1811
ethyl 2-[4-({[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]imino}methyl)-2-methoxyphenoxy]acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3033-1811

Molecular Formula

C21H24N6O7 (C21 H24 N6 O7)

Compound Name

ethyl 2-[4-({[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]imino}methyl)-2-methoxyphenoxy]acetate

IUPAC name

ethyl 2-[4-({[2-(13-dimethyl-26-dioxo-2369-tetrahydro-1H-purin-9-yl)acetamido]imino}methyl)-2-methoxyphenoxy]acetate

SMILES

CCOC(COc(ccc(C=NNC(Cn1c(N(C)C(N(C)C2=O)=O)c2nc1)=O)c1)c1OC)=O

InChI

InChI=1S/C21H24N6O7/c1-5-33-17(29)11-34-14-7-6-13(8-15(14)32-4)9-23-24-16(28)10-27-12-22-18-19(27)25(2)21(31)26(3)20(18)30/h6-9,12H,5,10-11H2,1-4H3,(H,24,28)

InChI Key

BTHFPZYHGZZRLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01786269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.276

Distribution Coefficient, logD

0.276

Water Solubility, LogSw

-2.16

Polar Surface Area

113.653

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3033-1811 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-1811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-1811
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3033-1811 available by request